2-[(E)-2-(4-chlorophenyl)ethenyl]-1-prop-2-ynylbenzimidazole
Formula:C18H13N2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(4-chlorophenyl)ethenyl]-1-prop-2-ynylbenzimidazole is a drug-like molecule.
| MolName | 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-prop-2-ynylbenzimidazole |
| MolecularFormula | C18H13N2Cl |
| Smiles | C#CCn1c(cccc2)c2nc1/C=C/c(cc1)ccc1Cl |
| InChI | InChI=1S/C18H13ClN2/c1-2-13-21-17-6-4-3-5-16(17)20-18(21)12-9-14-7-10-15(19)11-8-14/h1,3-12H,13H2 |
| InChIK | DBRSVULQNMUZED-UHFFFAOYSA-N |
| TotalMolweight | 292.768 |
| Molweight | 292.768 |
| MonoisotopicMass | 292.076725 |
| CLogP | 3.9714 |
| CLogS | -3.975 |
| H Acceptors | 2 |
| TotalSurfaceArea | 235.07 |
| Relative PSA | 0.075892 |
| PolarSurfaceArea | 17.82 |
| Druglikeness | 2.104 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-prop-2-ynylbenzimidazole | 2 - 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-prop-2-ynylbenzimidazole
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